4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine

Basic Information

View in Editor

CAS Number

876343-10-1

Molecular Formula

C6H3ClIN3

Molecular Weight

279.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

2.284

Refractive Index

1.804

SMILES

View in Editor

Clc1ncnc2[nH]c(I)cc12

InChI

InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)

InChIKey

DXPVKZYVQANEDW-UHFFFAOYSA-N

LogP

2.2159000000000004

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

157

Synonyms & References

English

4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-6-iodo-
4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-iodo- (9CI)
4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine (ACI)

MDL Number

MFCD11518919

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine (CAS: 876343-10-1)?

4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine is a solid with a crystalline form. Its molecular weight is approximately 328.03 g/mol. This compound has low water solubility, making it poorly soluble in water but more soluble in organic solvents like DMSO. Chemically, it is moderately reactive, particularly towards nucleophiles. It can be used in various reactions due to the presence of a chlorine and an iodine substituent.

How is 4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine (CAS: 876343-10-1) typically synthesized?

4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine is typically synthesized through the sequential addition of chlorine and iodine to 1H-pyrrolo[2,3-d]pyrimidine. This process involves nucleophilic substitution reactions where the chlorine and iodine atoms are installed at the appropriate positions. The reaction often requires the use of a catalyst and protective groups to control the reactivity and ensure high selectivity and yield.

What industries use 4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine (CAS: 876343-10-1)?

4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine is used in the pharmaceutical industry for developing new drugs. It also finds applications in the polymer industry as a stabilizer and in the semiconductor industry as a dopant. Additionally, this compound is utilized in the development of sensors for detecting specific analytes. Its unique chemical properties make it suitable for these diverse applications.

What precautions should be taken when handling 4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine (CAS: 876343-10-1)?

When handling 4-Chloro-6-iodo-1H-pyrrolo[2,3-d]pyrimidine, workers should wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up using absorbent materials and proper disposal procedures should be followed. Always refer to the safety data sheet (SDS) for specific handling instructions and emergency procedures.